3-(4-Trifluoromethylbenzoyl)acrylic Acid
TL;DR: 3-(4-Trifluoromethylbenzoyl)acrylic Acid (CAS 38923-99-8) is a chemical compound with molecular formula C11H7F3O3 and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid
Also Known As: 3-(4-Trifluoromethylbenzoyl)acrylic Acid, 2-Butenoic acid, 4-oxo-4-[4-(trifluoromethyl)phenyl]-
| Molecular Formula | C11H7F3O3 |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 2.5289 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.03473 |
| Heavy Atoms | 17 |
| Complexity | 457.84515 |
Chemical Identifiers
| CAS Number | 38923-99-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CC(=O)O)C(F)(F)F |
Product Overview
3-(4-Trifluoromethylbenzoyl)acrylic Acid (CAS 38923-99-8), with molecular formula C11H7F3O3 and molecular weight 244.03 g/mol. IUPAC: 4-oxo-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid.
Chemical Property Profile of 3-(4-Trifluoromethylbenzoyl)acrylic Acid
Property Insights of 3-(4-Trifluoromethylbenzoyl)acrylic Acid
The XLogP value of 2.5289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Trifluoromethylbenzoyl)acrylic Acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-(4-Trifluoromethylbenzoyl)acrylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Trifluoromethylbenzoyl)acrylic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Trifluoromethylbenzoyl)acrylic Acid?
The CAS number of 3-(4-Trifluoromethylbenzoyl)acrylic Acid is 38923-99-8.
What is the molecular formula of 3-(4-Trifluoromethylbenzoyl)acrylic Acid?
The molecular formula of 3-(4-Trifluoromethylbenzoyl)acrylic Acid is C11H7F3O3.
What is the molecular weight of 3-(4-Trifluoromethylbenzoyl)acrylic Acid?
The molecular weight of 3-(4-Trifluoromethylbenzoyl)acrylic Acid is 244.03 g/mol.
Where can I buy 3-(4-Trifluoromethylbenzoyl)acrylic Acid?
You can request a quote for 3-(4-Trifluoromethylbenzoyl)acrylic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Trifluoromethylbenzoyl)acrylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Trifluoromethylbenzoyl)acrylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.